diethyl 2-acetamido-2-[(5-iodanyl-1H-indol-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(5-iodanyl-1H-indol-3-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(5-iodo-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(5-iodo-1H-indol-3-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(5-iodo-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(5-iodo-1H-indol-3-yl)methyl]malonic acid diethyl ester Formula: C18H21IN2O5 MolecularWeight: 472.27421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)I)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)I)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H21IN2O5/c1-4-25-16(23)18(21-11(3)22,17(24)26-5-2)9-12-10-20-15-7-6-13(19)8-14(12)15/h6-8,10,20H,4-5,9H2,1-3H3,(H,21,22)